Vitas-M small molecule compound
methyl (2Z)-7-methyl-3-oxo-5-phenyl-2-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL168335
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc[nH]1)/s2
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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 C20H17N3O3S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3S/c1-12-16(19(25)26-2)17(13-7-4-3-5-8-13)23-18(24)15(27-20(23)22-12)11-14-9-6-10-21-14/h3-11,17,21H,1-2H3/b15-11-InChIKey
NZVVEPRVOZAXCY-PTNGSMBKSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CN3)SC2=N1)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(nH)1)s2
InChI=1SC20H17N3O3Sc11216(19(25)262)17(137435813)2318(24)15(2720(23)2212)111496102114h3111721H12H3b1511
methyl(2Z)7methyl3oxo5phenyl2(1Hpyrrol2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)7methyl3oxo5phenyl2(1Hpyrrol2ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04581228
ZINC000002800558
ZINC000002800560
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