Vitas-M small molecule compound
4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[2-(1H-benzimidazol-2-yl)ethyl]butanamide
Catalog ID
STL545220
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)NCCc1nc2c([nH]1)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 C34H39N5O6 MW 613.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O6/c1-20(40)37-24-13-11-21-18-29(43-2)33(44-3)34(45-4)32(21)22-12-14-27(28(41)19-23(22)24)35-16-7-10-31(42)36-17-15-30-38-25-8-5-6-9-26(25)39-30/h5-6,8-9,12,14,18-19,24H,7,10-11,13,15-17H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)(H,38,39)/t24-/mInChIKey
CGRALFGIYKDLTO-DEOSSOPVSA-NSynonyms
1574352-00-3(S)N(2(1Hbenzo(d)imidazol2yl)ethyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1574352003
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(1~(H)benzimidazol2yl)ethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(1Hbenzimidazol2yl)ethyl)butanamide
75492340
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)NCCc1nc2c((nH)1)cccc2
InChI=1SC34H39N5O6c120(40)37241311211829(432)33(443)34(454)32(21)22121427(28(41)1923(22)24)351671031(42)361715303825856926(25)3930h56891214181924H71011131517H214H3(H3541)(H3642)(H3740)(H3839)t24m0s1
ZINC000108450863
ZINC108450863
Check stock
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Check stock on Vitas-MAvailable files
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