Vitas-M small molecule compound
methyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL177243
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-12-17(20(26)28-3)18(13-6-8-15(27-2)9-7-13)24-19(25)16(29-21(24)23-12)11-14-5-4-10-22-14/h4-11,18,22H,1-3H3/b16-11+InChIKey
AOENEKBXQRRCMO-LFIBNONCSA-NSynonyms
832138-22-4832138224
CC1=C(C(N2C(=O)C(=CC3=CC=CN3)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(nH)1)s2
InChI=1SC21H19N3O4Sc11217(20(26)283)18(136815(272)9713)2419(25)16(2921(24)2312)111454102214h4111822H13H3b1611+
methyl(2E)5(4methoxyphenyl)7methyl3oxo2(1Hpyrrol2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl3oxo2(1Hpyrrol2ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04052464
ZINC000006393933
ZINC000032479646
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