Vitas-M small molecule compound
2-{(1Z)-1-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]propyl}-N-phenylhydrazinecarbothioamide
Catalog ID
STK257555
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(/NNC(=S)Nc2ccccc2)\CC)/C1=O
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c1-3-16(24-25-20(31)22-13-7-5-4-6-8-13)17-18(27)23-21(29)26(19(17)28)14-9-11-15(30-2)12-10-14/h4-12,24H,3H2,1-2H3,(H2,22,25,31)(H,23,27,29)/b17-16-InChIKey
DEMDYBQBITVOCH-MSUUIHNZSA-NSynonyms
(E)2(1(1(4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)propyl)Nphenylhydrazinecarbothioamide
1(((1Z)1(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)PROPYL)AMINO)3PHENYLTHIOUREA
2((1Z)1(1(4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)propyl)Nphenylhydrazinecarbothioamide
CCC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)NNC(=S)NC3=CC=CC=C3
COc1ccc(cc1)N1C(=O)NC(=O)C(=C(NNC(=S)Nc2ccccc2)CC)C1=O
InChI=1SC21H21N5O4Sc1316(242520(31)22137546813)1718(27)2321(29)26(19(17)28)1491115(302)121014h41224H3H212H3(H2222531)(H232729)b1716
MFCD08685508
ZINC000009356214
ZINC09356214
ZINC9356214
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