Vitas-M small molecule compound

(5E)-1-(1,3-benzodioxol-5-yl)-5-[(5-chlorothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione

Catalog ID
STK085460
SMILES Clc1ccc(s1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2

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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 C16H9ClN2O5S MW 376.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9ClN2O5S/c17-13-4-2-9(25-13)6-10-14(20)18-16(22)19(15(10)21)8-1-3-11-12(5-8)24-7-23-11/h1-6H,7H2,(H,18,20,22)/b10-6+
InChIKey
PCYFYTIQIHWOLL-UXBLZVDNSA-N
Synonyms
471868-86-7
(5E)1(13BENZODIOXOL5YL)5((5CHLOROTHIOPHEN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5((5CHLOROTHIOPHEN2YL)METHYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
(5E)3(13BENZODIOXOL5YL)5((5CHLOROTHIOPHEN2YL)METHYLIDENE)6HYDROXYPYRIMIDINE24(3H5H)DIONE
(E)1(benzo(d)(13)dioxol5yl)5((5chlorothiophen2yl)methylene)pyrimidine246(1H3H5H)trione
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(S4)Cl)C(=O)NC3=O
Clc1ccc(s1)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC16H9ClN2O5Sc1713429(2513)61014(20)1816(22)19(15(10)21)8131112(58)2472311h16H7H2(H182022)b106+
MFCD03250681
STK085460
ZINC2379234

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Available files

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