Vitas-M small molecule compound
methyl (2Z)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-5-[(E)-2-phenylethenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876956
SMILES COC(=O)C1=C(C)N=c2n(C1/C=C/c1ccccc1)c(=O)/c(=C/c1cccc(c1)[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 C24H19N3O5S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O5S/c1-15-21(23(29)32-2)19(12-11-16-7-4-3-5-8-16)26-22(28)20(33-24(26)25-15)14-17-9-6-10-18(13-17)27(30)31/h3-14,19H,1-2H3/b12-11+,20-14-InChIKey
KJKJLCKOPZBWRH-IICJTNPGSA-NSynonyms
321976-34-5(Z)methyl7methyl2(3nitrobenzylidene)3oxo5((E)styryl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
321976345
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=N1)C=CC4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1C=Cc1ccccc1)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
InChI=1SC24H19N3O5Sc11521(23(29)322)19(1211167435816)2622(28)20(3324(26)2515)1417961018(1317)27(30)31h31419H12H3b1211+2014
METHYL(2Z)7METHYL2((3NITROPHENYL)METHYLIDENE)3OXO5((E)2PHENYLETHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)7methyl2(3nitrobenzylidene)3oxo5((E)2phenylethenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL5((1E)2PHENYLVINYL)7METHYL2((3NITROPHENYL)METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01072557
ZINC000001823418
ZINC000008915423
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