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-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STL538162
SMILES COC(=O)c1c(NC(=S)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)sc2c1CCCCCC2
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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 C24H29N3O3S2 MW 471.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O3S2/c1-30-23(29)21-17-7-4-2-3-5-9-19(17)32-22(21)25-24(31)26-12-15-11-16(14-26)18-8-6-10-20(28)27(18)13-15/h6,8,10,15-16H,2-5,7,9,11-14H2,1H3,(H,25,31)/t15-,16+/m0/s1InChIKey
FESFUDJQDQRVJQ-JKSUJKDBSA-NSynonyms
COC(=O)c1c(NC(=S)N2C(C@@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)sc2c1CCCCCC2
InChI=1SC24H29N3O3S2c13023(29)211774235919(17)3222(21)2524(31)2612151116(1426)18861020(28)27(18)1315h68101516H25791114H21H3(H2531)t1516+m0s1
methyl2((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
methyl2((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)456789hexahydrocycloocta(b)thiophene3carboxylate
MFCD04146562
ZINC000002107206
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