Vitas-M small molecule compound
ethyl 2-(1,3-benzothiazol-2-ylamino)-4-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Catalog ID
STK235141
SMILES CCOC(=O)c1cnc(nc1CSc1nncn1C)Nc1nc2c(s1)cccc2
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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 C18H17N7O2S2 MW 427.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N7O2S2/c1-3-27-15(26)11-8-19-16(21-13(11)9-28-18-24-20-10-25(18)2)23-17-22-12-6-4-5-7-14(12)29-17/h4-8,10H,3,9H2,1-2H3,(H,19,21,22,23)InChIKey
ZZAZYVDGSHYHTB-UHFFFAOYSA-NSynonyms
879624-46-1879624461
CCOC(=O)C1=CN=C(N=C1CSC2=NN=CN2C)NC3=NC4=CC=CC=C4S3
ethyl2(13benzothiazol2ylamino)4(((4methyl4H124triazol3yl)sulfanyl)methyl)pyrimidine5carboxylate
ethyl2(13benzothiazol2ylamino)4((4methyl124triazol3yl)sulfanylmethyl)pyrimidine5carboxylate
ethyl2(benzo(d)thiazol2ylamino)4(((4methyl4H124triazol3yl)thio)methyl)pyrimidine5carboxylate
InChI=1SC18H17N7O2S2c132715(26)1181916(2113(11)9281824201025(18)2)23172212645714(12)2917h4810H39H212H3(H19212223)
MFCD07157518
ZINC09129143
ZINC9129143
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