Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK082053
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1c[nH]c3c1cccc3)/s2)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 C26H22ClN3O3S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN3O3S/c1-14(2)33-25(32)22-15(3)29-26-30(23(22)16-8-10-18(27)11-9-16)24(31)21(34-26)12-17-13-28-20-7-5-4-6-19(17)20/h4-14,23,28H,1-3H3/b21-12-InChIKey
LTGYWTDMZBAOSO-MTJSOVHGSA-NSynonyms
CC(OC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1c(nH)c3c1cccc3)s2)C
CC1=C(C(N2C(=O)C(=CC3=CNC4=CC=CC=C43)SC2=N1)C5=CC=C(C=C5)Cl)C(=O)OC(C)C
InChI=1SC26H22ClN3O3Sc114(2)3325(32)2215(3)292630(23(22)1681018(27)11916)24(31)21(3426)1217132820754619(17)20h4142328H13H3b2112
MFCD03009113
PROPAN2YL(2Z)5(4CHLOROPHENYL)2(1HINDOL3YLMETHYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROPAN2YL(2Z)5(4CHLOROPHENYL)2(1HINDOL3YLMETHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK082053
ZINC000009678706
ZINC000013893304
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