Vitas-M small molecule compound
ethyl (2Z)-2-(1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794240
SMILES CCCCN1C(=O)/C(=c/2\sc3=NC(=C(C(n3c2=O)c2cccc(c2)[N+](=O)[O-])C(=O)OCC)C)/c2c1cccc2
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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 C28H26N4O6S MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O6S/c1-4-6-14-30-20-13-8-7-12-19(20)22(25(30)33)24-26(34)31-23(17-10-9-11-18(15-17)32(36)37)21(27(35)38-5-2)16(3)29-28(31)39-24/h7-13,15,23H,4-6,14H2,1-3H3/b24-22-InChIKey
VUCGDGZUJOBBTC-GYHWCHFESA-NSynonyms
374100-96-6(Z)ethyl2(1butyl2oxoindolin3ylidene)7methyl5(3nitrophenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
374100966
CCCCN1C(=O)C(=c2sc3=NC(=C(C(n3c2=O)c2cccc(c2)(N+)(=O)(O))C(=O)OCC)C)c2c1cccc2
CCCCN1C2=CC=CC=C2C(=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC)C5=CC(=CC=C5)(N+)(=O)(O))C1=O
ethyl(2Z)2(1butyl2oxo12dihydro3Hindol3ylidene)7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(1butyl2oxoindol3ylidene)7methyl5(3nitrophenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(1BUTYL2OXO23DIHYDRO1HINDOL3YLIDENE)7METHYL5(3NITROPHENYL)3OXO2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
InChI=1SC28H26N4O6Sc14614302013871219(20)22(25(30)33)2426(34)3123(171091118(1517)32(36)37)21(27(35)3852)16(3)2928(31)3924h7131523H4614H213H3b2422
MFCD01952263
ZINC000100721083
ZINC000100721088
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