Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK114608
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C\1/C(=O)Nc3c1cccc3)/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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-13(2)34-25(32)19-14(3)27-26-29(21(19)15-9-11-16(33-4)12-10-15)24(31)22(35-26)20-17-7-5-6-8-18(17)28-23(20)30/h5-13,21H,1-4H3,(H,28,30)/b22-20-InChIKey
WBOIHWGTUOYOKK-XDOYNYLZSA-NSynonyms
CC1=C(C(N2C(=O)C(=C3C4=CC=CC=C4NC3=O)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=C1C(=O)Nc3c1cccc3)s2)C(=O)OC(C)C
InChI=1SC26H23N3O5Sc113(2)3425(32)1914(3)272629(21(19)1591116(334)121015)24(31)22(3526)2017756818(17)2823(20)30h51321H14H3(H2830)b2220
MFCD04127769
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2(2OXO12DIHYDRO3HINDOL3YLIDENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)5(4methoxyphenyl)7methyl3oxo2(2oxo1Hindol3ylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000003769817
ZINC000003769819
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