Vitas-M small molecule compound
2-(benzylsulfanyl)-N-(5-chloro-2-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Catalog ID
STK232287
SMILES COc1ccc(cc1NC(=O)C1CC(=O)Nc2n1nc(n2)SCc1ccccc1)Cl
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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 C20H18ClN5O3S MW 443.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O3S/c1-29-16-8-7-13(21)9-14(16)22-18(28)15-10-17(27)23-19-24-20(25-26(15)19)30-11-12-5-3-2-4-6-12/h2-9,15H,10-11H2,1H3,(H,22,28)(H,23,24,25,27)InChIKey
IPYLVJVRDHZUSH-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)N(5chloro2methoxyphenyl)5oxo4567tetrahydro(124)triazolo(15a)pyrimidine7carboxamide
2benzylsulfanylN(5chloro2methoxyphenyl)5oxo67dihydro1H(124)triazolo(15a)pyrimidine7carboxamide
COC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)N=C3N2NC(=N3)SCC4=CC=CC=C4
InChI=1SC20H18ClN5O3Sc129168713(21)914(16)2218(28)151017(27)23192420(2526(15)19)3011125324612h2915H1011H21H3(H2228)(H23242527)
MFCD08547092
ZINC000009418875
ZINC000009418876
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