Vitas-M small molecule compound

5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK188024
SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)[N+](=O)[O-])C1=O

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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 C19H16ClN3O5S MW 433.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16ClN3O5S/c1-3-21-17(24)14(18(25)22(4-2)19(21)29)10-12-6-8-16(28-12)13-9-11(23(26)27)5-7-15(13)20/h5-10H,3-4H2,1-2H3
InChIKey
YXBKRSJTBBQSCB-UHFFFAOYSA-N
Synonyms
381187-02-6
381187026
5((5(2chloro5nitrophenyl)furan2yl)methylene)13diethyl2thioxodihydropyrimidine46(1H5H)dione
5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)13DIETHYL2SULFANYLIDENE13DIAZINANE46DIONE
5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)13DIETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)C(=O)N(C1=S)CC
CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))C1=O
InChI=1SC19H16ClN3O5Sc132117(24)14(18(25)22(42)19(21)29)10126816(2812)13911(23(26)27)5715(13)20h510H34H212H3
MFCD02614612
ZINC000009043938
ZINC09043938
ZINC9043938

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Available files

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