Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK701440
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)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 C26H21N3O7S MW 519.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O7S/c1-4-12-35-25(32)22-15(2)27-26-28(23(22)18-8-10-20(11-9-18)36-16(3)30)24(31)21(37-26)14-17-6-5-7-19(13-17)29(33)34/h4-11,13-14,23H,1,12H2,2-3H3/b21-14-InChIKey
XJDZTQIZFNCFAA-STZFKDTASA-NSynonyms
(Z)allyl5(4acetoxyphenyl)7methyl2(3nitrobenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))SC2=N1)C4=CC=C(C=C4)OC(=O)C)C(=O)OCC=C
InChI=1SC26H21N3O7Sc14123525(32)2215(2)272628(23(22)1881020(11918)3616(3)30)24(31)21(3726)141765719(1317)29(33)34h411131423H112H223H3b2114
MFCD02994216
prop2en1yl(2Z)5(4(acetyloxy)phenyl)7methyl2(3nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4ACETYLOXYPHENYL)7METHYL2((3NITROPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000002301826
ZINC000002301828
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