Vitas-M small molecule compound
ethyl 4-{3-[bis(2-chloroethyl)amino]-5-methylphenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK016108
SMILES ClCCN(c1cc(C)cc(c1)C1NC(=S)NC(=C1C(=O)OCC)C)CCCl
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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 C19H25Cl2N3O2S MW 430.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25Cl2N3O2S/c1-4-26-18(25)16-13(3)22-19(27)23-17(16)14-9-12(2)10-15(11-14)24(7-5-20)8-6-21/h9-11,17H,4-8H2,1-3H3,(H2,22,23,27)InChIKey
HNKZRXTYZZIRDK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2)N(CCCl)CCCl)C)C
ClCCN(c1cc(C)cc(c1)C1NC(=S)NC(=C1C(=O)OCC)C)CCCl
ETHYL4(3(BIS(2CHLOROETHYL)AMINO)5METHYLPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3(bis(2chloroethyl)amino)5methylphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
InChI=1SC19H25Cl2N3O2Sc142618(25)1613(3)2219(27)2317(16)14912(2)1015(1114)24(7520)8621h91117H48H213H3(H2222327)
MFCD08049630
STK016108
ZINC000098044756
ZINC000098044757
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