Vitas-M small molecule compound
methyl 2-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK688382
SMILES COC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)sc2c1CCCCCCCCCC2
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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 C28H37N3O3S2 MW 527.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O3S2/c1-34-27(33)25-21-11-8-6-4-2-3-5-7-9-13-23(21)36-26(25)29-28(35)30-16-19-15-20(18-30)22-12-10-14-24(32)31(22)17-19/h10,12,14,19-20H,2-9,11,13,15-18H2,1H3,(H,29,35)/t19-,20+/m0/s1InChIKey
DRUGVBYYQNRBFG-VQTJNVASSA-NSynonyms
COC(=O)c1c(NC(=S)N2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCCCCCCCCC2
COC(=O)c1c(NC(=S)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCCCCCCCCC2
methyl2((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
MFCD07637480
ZINC000100215268
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