Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-1,3-benzodioxol-5-ylglycinamide
Catalog ID
STL541514
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)Nc1ccc2c(c1)OCO2)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 C30H31N3O8 MW 561.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O8/c1-16(34)32-21-8-5-17-11-26(37-2)29(38-3)30(39-4)28(17)19-7-9-22(23(35)13-20(19)21)31-14-27(36)33-18-6-10-24-25(12-18)41-15-40-24/h6-7,9-13,21H,5,8,14-15H2,1-4H3,(H,31,35)(H,32,34)(H,33,36)/t21-/m0/s1InChIKey
HGFCNRSDVVCROA-NRFANRHFSA-NSynonyms
1574346-85-2(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(benzo(d)(13)dioxol5yl)acetamide
1574346852
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(13benzodioxol5yl)acetamide
75492291
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)Nc1ccc2c(c1)OCO2)NC(=O)C
InChI=1SC30H31N3O8c116(34)322185171126(372)29(383)30(394)28(17)197922(23(35)1320(19)21)311427(36)33186102425(1218)41154024h6791321H581415H214H3(H3135)(H3234)(H3336)t21m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N13benzodioxol5ylglycinamide
ZINC000108450742
ZINC108450742
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