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-(3-hydroxyphenyl)butanamide
Catalog ID
STL546035
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)O)NC(=O)C)cc(c1OC)OC
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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 C31H35N3O7 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O7/c1-18(35)33-24-12-10-19-15-27(39-2)30(40-3)31(41-4)29(19)22-11-13-25(26(37)17-23(22)24)32-14-6-9-28(38)34-20-7-5-8-21(36)16-20/h5,7-8,11,13,15-17,24,36H,6,9-10,12,14H2,1-4H3,(H,32,37)(H,33,35)(H,34,38)/t24-/m0/s1InChIKey
WEBUZFRIAPSJQF-DEOSSOPVSA-NSynonyms
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3hydroxyphenyl)butanamide
110207801
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3hydroxyphenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3hydroxyphenyl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)O)NC(=O)C)cc(c1OC)OC
InChI=1SC31H35N3O7c118(35)33241210191527(392)30(403)31(414)29(19)22111325(26(37)1723(22)24)32146928(38)342075821(36)1620h578111315172436H69101214H214H3(H3237)(H3335)(H3438)t24m0s1
ZINC000253413996
ZINC253413996
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