Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-10-{[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-(methylsulfanyl)-1-oxobutan-2-yl]amino}-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL540675
SMILES CSCC[C@@H](C(=O)N1CCN(CC1)c1ccc(cc1)OC)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 C37H46N4O7S MW 690.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O7S/c1-23(42)38-29-13-7-24-21-33(46-3)35(47-4)36(48-5)34(24)27-12-14-30(32(43)22-28(27)29)39-31(15-20-49-6)37(44)41-18-16-40(17-19-41)25-8-10-26(45-2)11-9-25/h8-12,14,21-22,29,31H,7,13,15-20H2,1-6H3,(H,38,42)(H,39,43)/t29-,31-/m0/s1InChIKey
UVLDARVNLRWGBB-SMCANUKXSA-NSynonyms
1574351-75-9~(N)((7~(S))123trimethoxy10(((2~(S))1(4(4methoxyphenyl)piperazin1yl)4methylsulfanyl1oxobutan2yl)amino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574351759
75492237
CSCC(C@@H)(C(=O)N1CCN(CC1)c1ccc(cc1)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H46N4O7Sc123(42)3829137242133(463)35(474)36(485)34(24)27121430(32(43)2228(27)29)3931(1520496)37(44)41181640(171941)2581026(452)11925h8121421222931H7131520H216H3(H3842)(H3943)t2931m0s1
N((7S)123trimethoxy10(((2S)1(4(4methoxyphenyl)piperazin1yl)4(methylsulfanyl)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy10(((S)1(4(4methoxyphenyl)piperazin1yl)4(methylthio)1oxobutan2yl)amino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653694
ZINC150653694
Check stock
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Check stock on Vitas-MAvailable files
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