Vitas-M small molecule compound
(E)-N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(3,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-ylidene)alaninamide
Catalog ID
STL545339
SMILES COc1cc2CCC(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NC(C(=O)/N=c/1\[nH]c2c(s1)CCC2)C)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 C30H34N4O6S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N4O6S/c1-15(29(37)34-30-33-22-7-6-8-25(22)41-30)31-21-12-10-18-19(14-23(21)36)20(32-16(2)35)11-9-17-13-24(38-3)27(39-4)28(40-5)26(17)18/h10,12-15,20H,6-9,11H2,1-5H3,(H,31,36)(H,32,35)(H,33,34,37)InChIKey
BWLXCNYANJTCOS-UHFFFAOYSA-NSynonyms
(E)N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3456tetrahydro2Hcyclopenta(d)(13)thiazol2ylidene)alaninamide
110209636
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(56dihydro4~(H)cyclopenta(d)(13)thiazol2yl)propanamide
InChI=1SC30H34N4O6Sc115(29(37)3430332276825(22)4130)312112101819(1423(21)36)20(3216(2)35)119171324(383)27(394)28(405)26(17)18h10121520H6911H215H3(H3136)(H3235)(H333437)
MFCD31756222
ZINC000217936623
ZINC000252523093
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