Vitas-M small molecule compound
N-(4-methoxyphenyl)-5-methyl-2-[(3-methylbenzyl)sulfanyl]-7-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STK884318
SMILES COc1ccc(cc1)NC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)C(C)C)nc(n2)SCc1cccc(c1)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 C31H33N5O2S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S/c1-19(2)23-9-11-24(12-10-23)28-27(29(37)33-25-13-15-26(38-5)16-14-25)21(4)32-30-34-31(35-36(28)30)39-18-22-8-6-7-20(3)17-22/h6-17,19,28H,18H2,1-5H3,(H,33,37)(H,32,34,35)InChIKey
JXWCWTJFAWUTKN-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)C(C)C)C(=O)NC5=CC=C(C=C5)OC)C
InChI=1SC31H33N5O2Sc119(2)2391124(121023)2827(29(37)3325131526(385)161425)21(4)32303431(3536(28)30)39182286720(3)1722h6171928H18H215H3(H3337)(H323435)
MFCD14731028
N(4methoxyphenyl)5methyl2((3methylbenzyl)sulfanyl)7(4(propan2yl)phenyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(4methoxyphenyl)5methyl2((3methylphenyl)methylsulfanyl)7(4propan2ylphenyl)17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000101293292
ZINC000101293298
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