Vitas-M small molecule compound

5-(1H-indol-3-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK325057
SMILES S=C1NC(=O)C(=Cc2c[nH]c3c2cccc3)C(=O)N1

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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 C13H9N3O2S MW 271.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6,14H,(H2,15,16,17,18,19)
InChIKey
XQPSWDRJQACIFU-UHFFFAOYSA-N
Synonyms
53215-61-5
2THIOXO5(1HINDOLE3YLMETHYLENE)HEXAHYDROPYRIMIDINE46DIONE
46(1H5H)PYRIMIDINEDIONEDIHYDRO5(1HINDOL3YLMETHYLENE)2THIOXO
5((1HINDOL3YL)METHYLENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(1HINDOL3YLMETHYLENE)2THIOXODIHYDROPYRIMIDINE46DIONE
5(1HINDOL3YLMETHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(1Hindol3ylmethylidene)2thioxodihydropyrimidine46(1H5H)dione
5(1HINDOL3YLMETHYLIDENE)2THIOXOHEXAHYDROPYRIMIDINE46DIONE
53215615
C1=CC=C2C(=C1)C(=CN2)C=C3C(=O)NC(=S)NC3=O
InChI=1SC13H9N3O2Sc17119(12(18)1613(19)1511)576141042138(7)10h1614H(H21516171819)
MFCD00118195
S=C1NC(=O)C(=Cc2c(nH)c3c2cccc3)C(=O)N1
ZINC000008994157
ZINC8994157

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.