Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-2-{[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522646
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1C)[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 C29H23N3O8S MW 573.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O8S/c1-4-37-28(34)25-16(3)30-29-31(26(25)17-5-9-22-23(12-17)39-14-38-22)27(33)24(41-29)13-19-7-10-21(40-19)20-8-6-18(32(35)36)11-15(20)2/h5-13,26H,4,14H2,1-3H3/b24-13-InChIKey
ZCMHPYCETDWTPB-CFRMEGHHSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(o1)c1ccc(cc1C)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=C(O5)C6=C(C=C(C=C6)(N+)(=O)(O))C)S2)C
ethyl(2Z)5(13benzodioxol5yl)7methyl2((5(2methyl4nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL2((5(2METHYL4NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H23N3O8Sc143728(34)2516(3)302931(26(25)17592223(1217)39143822)27(33)24(4129)131971021(4019)208618(32(35)36)1115(20)2h51326H414H213H3b2413
MFCD01593355
ZINC000003001883
ZINC000003001885
Check stock
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Check stock on Vitas-MAvailable files
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