Vitas-M small molecule compound

propan-2-yl (2Z)-2-{5-chloro-2-[(4-nitrobenzyl)oxy]benzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK034160
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cc(Cl)ccc1OCc1ccc(cc1)[N+](=O)[O-])/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 C32H28ClN3O7S MW 634.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O7S/c1-18(2)43-31(38)28-19(3)34-32-35(29(28)21-7-12-25(41-4)13-8-21)30(37)27(44-32)16-22-15-23(33)9-14-26(22)42-17-20-5-10-24(11-6-20)36(39)40/h5-16,18,29H,17H2,1-4H3/b27-16-
InChIKey
APPFWTHRPMGCGK-YUMHPJSZSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)(N+)(=O)(O))SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1cc(Cl)ccc1OCc1ccc(cc1)(N+)(=O)(O))s2)C(=O)OC(C)C
InChI=1SC32H28ClN3O7Sc118(2)4331(38)2819(3)343235(29(28)2171225(414)13821)30(37)27(4432)16221523(33)91426(22)42172051024(11620)36(39)40h5161829H17H214H3b2716
MFCD03033401
PROPAN2YL(2Z)2((5CHLORO2((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
PROPAN2YL(2Z)2(5CHLORO2((4NITROBENZYL)OXY)BENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
STK034160
ZINC000150402772
ZINC000150402776

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Available files

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