Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK897007
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(cc1)[N+](=O)[O-])/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 C22H17N3O5S2 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S2/c1-3-10-30-21(27)18-13(2)23-22-24(19(18)16-5-4-11-31-16)20(26)17(32-22)12-14-6-8-15(9-7-14)25(28)29/h3-9,11-12,19H,1,10H2,2H3/b17-12-InChIKey
RJWTWWBCKODCCK-ATVHPVEESA-NSynonyms
C=CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)(N+)(=O)(O))s2
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))SC2=N1)C4=CC=CS4)C(=O)OCC=C
InChI=1SC22H17N3O5S2c13103021(27)1813(2)232224(19(18)1654113116)20(26)17(3222)12146815(9714)25(28)29h39111219H110H22H3b1712
MFCD02978154
prop2en1yl(2Z)7methyl2(4nitrobenzylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)7METHYL2((4NITROPHENYL)METHYLIDENE)3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROP2ENYL7METHYL2((4NITROPHENYL)METHYLENE)3OXO5(2THIENYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002677427
ZINC000002677429
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