Vitas-M small molecule compound
prop-2-en-1-yl 2-(butylsulfanyl)-7-methyl-4-oxo-5-(thiophen-2-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK981020
SMILES CCCCSc1nc2NC(=C(C(c2c(=O)[nH]1)c1cccs1)C(=O)OCC=C)C
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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 C20H23N3O3S2 MW 417.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S2/c1-4-6-10-28-20-22-17-16(18(24)23-20)15(13-8-7-11-27-13)14(12(3)21-17)19(25)26-9-5-2/h5,7-8,11,15H,2,4,6,9-10H2,1,3H3,(H2,21,22,23,24)InChIKey
WRZFIGASLPIXLQ-UHFFFAOYSA-NSynonyms
878123-91-2878123912
CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=CS3)C(=O)OCC=C)C
CCCCSc1nc2NC(=C(C(c2c(=O)(nH)1)c1cccs1)C(=O)OCC=C)C
InChI=1SC20H23N3O3S2c146102820221716(18(24)2320)15(1387112713)14(12(3)2117)19(25)26952h5781115H246910H213H3(H221222324)
MFCD08256093
prop2en1yl2(butylsulfanyl)7methyl4oxo5(thiophen2yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
prop2enyl2butylsulfanyl7methyl4oxo5thiophen2yl58dihydro1Hpyrido(23d)pyrimidine6carboxylate
ZINC000007991012
ZINC000007991013
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