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-(1-methyl-1H-benzimidazol-2-yl)ethyl]butanamide

Catalog ID
STL542310
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)NCCc1nc2c(n1C)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 C35H41N5O6 MW 627.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N5O6/c1-21(41)38-25-14-12-22-19-30(44-3)34(45-4)35(46-5)33(22)23-13-15-27(29(42)20-24(23)25)36-17-8-11-32(43)37-18-16-31-39-26-9-6-7-10-28(26)40(31)2/h6-7,9-10,13,15,19-20,25H,8,11-12,14,16-18H2,1-5H3,(H,36,42)(H,37,43)(H,38,41)/t25-/m0/s1
InChIKey
CTADFOADAHPEEP-VWLOTQADSA-N
Synonyms
1574398-09-6
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(1methyl1Hbenzo(d)imidazol2yl)ethyl)butanamide
1574398096
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(1methylbenzimidazol2yl)ethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(1methyl1Hbenzimidazol2yl)ethyl)butanamide
75491775
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)NCCc1nc2c(n1C)cccc2
InChI=1SC35H41N5O6c121(41)38251412221930(443)34(454)35(465)33(22)23131527(29(42)2024(23)25)361781132(43)3718163139269671028(26)40(31)2h679101315192025H81112141618H215H3(H3642)(H3743)(H3841)t25m0s1
ZINC000108449512
ZINC108449512

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Available files

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