Vitas-M small molecule compound
methyl 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Catalog ID
STL175736
SMILES COC(=O)C1=C(N)OC2=C(C1c1cc(CSc3ccc(cc3)Cl)c(cc1C)C)C(=O)CC(C2)(C)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 C28H30ClNO4S MW 512.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO4S/c1-15-10-16(2)20(11-17(15)14-35-19-8-6-18(29)7-9-19)23-24-21(31)12-28(3,4)13-22(24)34-26(30)25(23)27(32)33-5/h6-11,23H,12-14,30H2,1-5H3InChIKey
ZWTRSFHVNJICSS-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1C2C3=C(CC(CC3=O)(C)C)OC(=C2C(=O)OC)N)CSC4=CC=C(C=C4)Cl)C
InChI=1SC28H30ClNO4Sc1151016(2)20(1117(15)1435198618(29)7919)232421(31)1228(34)1322(24)3426(30)25(23)27(32)335h61123H121430H215H3
methyl2amino4(5(((4chlorophenyl)sulfanyl)methyl)24dimethylphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carboxylate
METHYL2AMINO4(5((4CHLOROPHENYL)SULFANYLMETHYL)24DIMETHYLPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBOXYLATE
MFCD03074725
ZINC000002744112
ZINC000002744113
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