Vitas-M small molecule compound
2-(benzylsulfanyl)-7-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884369
SMILES COc1cc(ccc1OC)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1)C(=O)Nc1ccccc1OC
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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 C29H29N5O4S MW 543.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O4S/c1-18-25(27(35)31-21-12-8-9-13-22(21)36-2)26(20-14-15-23(37-3)24(16-20)38-4)34-28(30-18)32-29(33-34)39-17-19-10-6-5-7-11-19/h5-16,26H,17H2,1-4H3,(H,31,35)(H,30,32,33)InChIKey
CHSDTGNYZWSYJL-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7(34dimethoxyphenyl)N(2methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2BENZYLSULFANYL7(34DIMETHOXYPHENYL)N(2METHOXYPHENYL)5METHYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXAMIDE
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)NC5=CC=CC=C5OC
InChI=1SC29H29N5O4Sc11825(27(35)312112891322(21)362)26(20141523(373)24(1620)384)3428(3018)3229(3334)391719106571119h51626H17H214H3(H3135)(H303233)
MFCD04457105
ZINC000101239087
ZINC000101239091
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