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N-[(7S)-10-{[(2S)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL550849
SMILES CSCC[C@@H](C(=O)N1CCCC1c1nc2c(s1)cccc2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C37H42N4O6S2 MW 702.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O6S2/c1-21(42)38-25-14-12-22-19-31(45-2)34(46-3)35(47-4)33(22)23-13-15-26(30(43)20-24(23)25)39-28(16-18-48-5)37(44)41-17-8-10-29(41)36-40-27-9-6-7-11-32(27)49-36/h6-7,9,11,13,15,19-20,25,28-29H,8,10,12,14,16-18H2,1-5H3,(H,38,42)(H,39,43)/
InChIKey
GQNZXZQBLQFJRA-AFZUQUGOSA-N
Synonyms

~(N)((7~(S))10(((2~(S))1(2(13benzothiazol2yl)pyrrolidin1yl)4methylsulfanyl1oxobutan2yl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
129895940
CSCC(C@@H)(C(=O)N1CCCC1c1nc2c(s1)cccc2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H42N4O6S2c121(42)38251412221931(452)34(463)35(474)33(22)23131526(30(43)2024(23)25)3928(1618485)37(44)411781029(41)3640279671132(27)4936h6791113151920252829H81012141618H215H3(H3842)(H3943)t252829?m0s1
N((7S)10(((2S)1(2(13benzothiazol2yl)pyrrolidin1yl)4(methylsulfanyl)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10(((2S)1(2(benzo(d)thiazol2yl)pyrrolidin1yl)4(methylthio)1oxobutan2yl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000524732194
ZINC000524732195

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Available files

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