Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-2-(2-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798393
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccccc1[N+](=O)[O-])/s2)C(=O)OC(C)C
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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 C25H23N3O6S MW 493.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O6S/c1-14(2)34-24(30)21-15(3)26-25-27(22(21)16-9-11-18(33-4)12-10-16)23(29)20(35-25)13-17-7-5-6-8-19(17)28(31)32/h5-14,22H,1-4H3/b20-13-InChIKey
WWVKCDGEUZEJQU-MOSHPQCFSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3(N+)(=O)(O))SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccccc1(N+)(=O)(O))s2)C(=O)OC(C)C
InChI=1SC25H23N3O6Sc114(2)3424(30)2115(3)262527(22(21)1691118(334)121016)23(29)20(3525)1317756819(17)28(31)32h51422H14H3b2013
MFCD03461958
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL2((2NITROPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)5(4methoxyphenyl)7methyl2(2nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000002665937
ZINC000002665939
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