Vitas-M small molecule compound
2-({7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Catalog ID
STK021547
SMILES NC(=O)CSc1nc2c(n1C/C=C(\Cl)/C)c(=O)[nH]c(=O)n2C
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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 C12H14ClN5O3S MW 343.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClN5O3S/c1-6(13)3-4-18-8-9(15-12(18)22-5-7(14)19)17(2)11(21)16-10(8)20/h3H,4-5H2,1-2H3,(H2,14,19)(H,16,20,21)/b6-3-InChIKey
QMLRBVRDBZURAX-UTCJRWHESA-NSynonyms
326919-04-4(Z)2((7(3chlorobut2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetamide
2((7((2Z)3chlorobut2en1yl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
2(7((Z)3CHLOROBUT2ENYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETAMIDE
326919044
CC(=CCN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C)Cl
InChI=1SC12H14ClN5O3Sc16(13)341889(1512(18)2257(14)19)17(2)11(21)1610(8)20h3H45H212H3(H21419)(H162021)b63
MFCD01079294
NC(=O)CSc1nc2c(n1CC=C(Cl)C)c(=O)(nH)c(=O)n2C
STK021547
ZINC000000196725
ZINC00196725
ZINC196725
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