Vitas-M small molecule compound
ethyl 7-methyl-4-oxo-3,3'-diphenyl-3,4,5,6,7,8-hexahydro-1H,3'H-spiro[1-benzothieno[2,3-d]pyrimidine-2,2'-[1,3,4]thiadiazole]-5'-carboxylate
Catalog ID
STK733741
SMILES CCOC(=O)C1=NN(C2(S1)Nc1sc3c(c1C(=O)N2c1ccccc1)CCC(C3)C)c1ccccc1
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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 C27H26N4O3S2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S2/c1-3-34-26(33)24-29-31(19-12-8-5-9-13-19)27(36-24)28-23-22(20-15-14-17(2)16-21(20)35-23)25(32)30(27)18-10-6-4-7-11-18/h4-13,17,28H,3,14-16H2,1-2H3InChIKey
PDUMTIDGPCUJLV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C2(S1)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2C5=CC=CC=C5)C6=CC=CC=C6
ethyl7methyl4oxo33diphenyl345678hexahydro1H3Hspiro(1benzothieno(23d)pyrimidine22(134)thiadiazole)5carboxylate
ethyl7methyl4oxo34diphenylspiro(134thiadiazole525678tetrahydro1H(1)benzothiolo(23d)pyrimidine)2carboxylate
InChI=1SC27H26N4O3S2c133426(33)242931(19128591319)27(3624)282322(20151417(2)1621(20)3523)25(32)30(27)18106471118h4131728H31416H212H3
MFCD02103081
ZINC000003672056
ZINC000003672059
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