Vitas-M small molecule compound
N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK261099
SMILES O=C(c1ccc2c(c1)OCO2)NCc1nnc(n1C)SCc1nc2ccccc2c(=O)[nH]1
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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 C21H18N6O4S MW 450.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O4S/c1-27-18(9-22-19(28)12-6-7-15-16(8-12)31-11-30-15)25-26-21(27)32-10-17-23-14-5-3-2-4-13(14)20(29)24-17/h2-8H,9-11H2,1H3,(H,22,28)(H,23,24,29)InChIKey
RZRRLLHQRWNSQE-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5(4OXO34DIHYDROQUINAZOLIN2YLMETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC21H18N6O4Sc12718(92219(28)12671516(812)31113015)252621(27)3210172314532413(14)20(29)2417h28H911H21H3(H2228)(H232429)
MFCD08670470
N((4METHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4methyl5((4oxo1Hquinazolin2yl)methylsulfanyl)124triazol3yl)methyl)13benzodioxole5carboxamide
O=C(c1ccc2c(c1)OCO2)NCc1nnc(n1C)SCc1nc2ccccc2c(=O)(nH)1
ZINC000009426791
ZINC09426791
ZINC9426791
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