Vitas-M small molecule compound
3-[3-({2-[(4-butylphenyl)amino]-2-oxoethyl}sulfanyl)-5-hydroxy-1,2,4-triazin-6-yl]propanoic acid
Catalog ID
STL229496
SMILES CCCCc1ccc(cc1)NC(=O)CSc1nnc(c(n1)O)CCC(=O)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 C18H22N4O4S MW 390.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S/c1-2-3-4-12-5-7-13(8-6-12)19-15(23)11-27-18-20-17(26)14(21-22-18)9-10-16(24)25/h5-8H,2-4,9-11H2,1H3,(H,19,23)(H,24,25)(H,20,22,26)InChIKey
MQRNKJRHQKOBCJ-UHFFFAOYSA-NSynonyms
3(3((2((4butylphenyl)amino)2oxoethyl)sulfanyl)5hydroxy124triazin6yl)propanoicacid
3(3(2(4BUTYLANILINO)2OXOETHYL)SULFANYL5OXO2H124TRIAZIN6YL)PROPANOICACID
CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=NN2)CCC(=O)O
InChI=1SC18H22N4O4Sc1234125713(8612)1915(23)1127182017(26)14(212218)91016(24)25h58H24911H21H3(H1923)(H2425)(H202226)
MFCD07422595
ZINC000016806862
ZINC16806862
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