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-{[1-(propan-2-yl)-1H-benzimidazol-2-yl]methyl}hexanamide
Catalog ID
STL542998
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCCCC(=O)NCc1nc2c(n1C(C)C)cccc2
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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 C38H47N5O6 MW 669.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H47N5O6/c1-23(2)43-31-13-10-9-12-29(31)42-34(43)22-40-35(46)14-8-7-11-19-39-30-18-16-26-27(21-32(30)45)28(41-24(3)44)17-15-25-20-33(47-4)37(48-5)38(49-6)36(25)26/h9-10,12-13,16,18,20-21,23,28H,7-8,11,14-15,17,19,22H2,1-6H3,(H,39,45)(H,40,46)(HInChIKey
PXGNCGJRGRSQHH-NDEPHWFRSA-NSynonyms
1630914-51-0(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1isopropyl1Hbenzo(d)imidazol2yl)methyl)hexanamide
1630914510
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)((1propan2ylbenzimidazol2yl)methyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((1(propan2yl)1Hbenzimidazol2yl)methyl)hexanamide
91636733
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCCCC(=O)NCc1nc2c(n1C(C)C)cccc2
InChI=1SC38H47N5O6c123(2)4331131091229(31)4234(43)224035(46)14871119393018162627(2132(30)45)28(4124(3)44)1715252033(474)37(485)38(496)36(25)26h9101213161820212328H78111415171922H216H3(H3945)(H4046)(H4144)t28m0s1
ZINC000217636565
ZINC217636565
Check stock
See real-time availability and sample size for STL542998 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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