Vitas-M small molecule compound
6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(5-methoxy-1H-indol-1-yl)ethyl]hexanamide
Catalog ID
STL545618
SMILES COc1ccc2c(c1)ccn2CCNC(=O)CCCCCNc1ccc2c(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 C38H46N4O7 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N4O7/c1-24(43)41-30-13-10-26-22-34(47-3)37(48-4)38(49-5)36(26)28-12-14-31(33(44)23-29(28)30)39-17-8-6-7-9-35(45)40-18-20-42-19-16-25-21-27(46-2)11-15-32(25)42/h11-12,14-16,19,21-23,30H,6-10,13,17-18,20H2,1-5H3,(H,39,44)(H,40,45)(H,41,43)/t3InChIKey
XKLCZOLOTKTDMA-PMERELPUSA-NSynonyms
1676111-81-1(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(5methoxy1Hindol1yl)ethyl)hexanamide
1676111811
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(5methoxyindol1yl)ethyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(5methoxy1Hindol1yl)ethyl)hexanamide
99999013
COc1ccc2c(c1)ccn2CCNC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H46N4O7c124(43)41301310262234(473)37(484)38(495)36(26)28121431(33(44)2329(28)30)3917867935(45)401820421916252127(462)111532(25)42h1112141619212330H61013171820H215H3(H3944)(H4045)(H4143)t30m0s1
ZINC000217975741
ZINC217975741
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.