Vitas-M small molecule compound

S-benzyl-N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]-D-cysteine

Catalog ID
STL464017
SMILES O=C(N[C@@H](C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2

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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 C30H31NO6S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO6S/c1-17-20(12-13-26(32)31-24(29(33)34)16-38-15-19-8-4-3-5-9-19)30(35)37-27-18(2)28-23(14-22(17)27)21-10-6-7-11-25(21)36-28/h3-5,8-9,14,24H,6-7,10-13,15-16H2,1-2H3,(H,31,32)(H,33,34)/t24-/m1/s1
InChIKey
KQXAXHRHXDYQDJ-XMMPIXPASA-N
Synonyms

(2S)3benzylsulfanyl2(3(411dimethyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)propanoylamino)propanoicacid
(R)3(benzylthio)2(3(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)propanamido)propanoicacid
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CCC(=O)NC(CSCC5=CC=CC=C5)C(=O)O
InChI=1SC30H31NO6Sc11720(121326(32)3124(29(33)34)163815198435919)30(35)372718(2)2823(1422(17)27)2110671125(21)3628h35891424H6710131516H212H3(H3132)(H3334)t24m1s1
O=C(N(C@@H)(C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
O=C(N(C@H)(C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2
SbenzylN(3(411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)propanoyl)Dcysteine
ZINC000101968781
ZINC101968781

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Available files

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