Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(2-methoxy-5-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK232295
SMILES COc1ccc(cc1NC(=O)C1CC(=O)Nc2n1nc(n2)SCc1ccccc1)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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-13-8-9-17(29-2)15(10-13)22-19(28)16-11-18(27)23-20-24-21(25-26(16)20)30-12-14-6-4-3-5-7-14/h3-10,16H,11-12H2,1-2H3,(H,22,28)(H,23,24,25,27)InChIKey
VQODDXPGLPTNDA-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(2methoxy5methylphenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2benzylsulfanylN(2methoxy5methylphenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidine7carboxamide
CC1=CC(=C(C=C1)OC)NC(=O)C2CC(=O)N=C3N2NC(=N3)SCC4=CC=CC=C4
InChI=1SC21H21N5O3Sc1138917(292)15(1013)2219(28)161118(27)23202421(2526(16)20)3012146435714h31016H1112H212H3(H2228)(H23242527)
MFCD08088735
ZINC000009427137
ZINC000009427138
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