Vitas-M small molecule compound

(5E)-1-(4-chlorophenyl)-2-thioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylidene]dihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK188213
SMILES Clc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)C)C)/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 C18H16ClN3O2S MW 373.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O2S/c1-10-8-12(11(2)21(10)3)9-15-16(23)20-18(25)22(17(15)24)14-6-4-13(19)5-7-14/h4-9H,1-3H3,(H,20,23,25)/b15-9+
InChIKey
NUAKOVUZHMBGQW-OQLLNIDSSA-N
Synonyms
6235-91-2
(5E)1(4CHLOROPHENYL)2SULFANYL5((125TRIMETHYL1HPYRROL3YL)METHYLIDENE)PYRIMIDINE46(1H5H)DIONE
(5E)1(4CHLOROPHENYL)2SULFANYLIDENE5((125TRIMETHYLPYRROL3YL)METHYLIDENE)13DIAZINANE46DIONE
(5E)1(4CHLOROPHENYL)2THIOXO5((125TRIMETHYL1HPYRROL3YL)METHYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
(E)1(4chlorophenyl)2thioxo5((125trimethyl1Hpyrrol3yl)methylene)dihydropyrimidine46(1H5H)dione
6235912
CC1=CC(=C(N1C)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl
Clc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(n(c2C)C)C)C1=O
InChI=1SC18H16ClN3O2Sc110812(11(2)21(10)3)91516(23)2018(25)22(17(15)24)146413(19)5714h49H13H3(H202325)b159+
MFCD02220597
ZINC1181816

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Available files

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