Vitas-M small molecule compound
methyl (2E)-2-({5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-yl}methylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL176254
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(o1)COc1ccc(cc1[N+](=O)[O-])Cl)/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 C27H20ClN3O7S MW 565.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O7S/c1-15-23(26(33)36-2)24(16-6-4-3-5-7-16)30-25(32)22(39-27(30)29-15)13-18-9-10-19(38-18)14-37-21-11-8-17(28)12-20(21)31(34)35/h3-13,24H,14H2,1-2H3/b22-13+InChIKey
IRHPQUDXOPUWSS-LPYMAVHISA-NSynonyms
512825-30-8512825308
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)COC4=C(C=C(C=C4)Cl)(N+)(=O)(O))SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)COc1ccc(cc1(N+)(=O)(O))Cl)s2
InChI=1SC27H20ClN3O7Sc11523(26(33)362)24(166435716)3025(32)22(3927(30)2915)131891019(3818)14372111817(28)1220(21)31(34)35h31324H14H212H3b2213+
methyl(2E)2((5((4chloro2nitrophenoxy)methyl)furan2yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2((5((4chloro2nitrophenoxy)methyl)furan2yl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2((5((4CHLORO2NITROPHENOXY)METHYL)2FURYL)METHYLENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03468658
ZINC000008455244
ZINC000008455245
Check stock
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