Vitas-M small molecule compound
tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl 4-({[2-methyl-5-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)benzoate
Catalog ID
STK666197
SMILES O=C(c1ccc(cc1)NS(=O)(=O)c1cc(ccc1C)n1cnnn1)OCC12CC3CC(C2)CC(C1)C3
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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 C26H29N5O4S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O4S/c1-17-2-7-23(31-16-27-29-30-31)11-24(17)36(33,34)28-22-5-3-21(4-6-22)25(32)35-15-26-12-18-8-19(13-26)10-20(9-18)14-26/h2-7,11,16,18-20,28H,8-10,12-15H2,1H3InChIKey
BZZJKBXIVAWLSA-UHFFFAOYSA-NSynonyms
1ADAMANTYLMETHYL4((2METHYL5(TETRAZOL1YL)PHENYL)SULFONYLAMINO)BENZOATE
CC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC45CC6CC(C4)CC(C6)C5
InChI=1SC26H29N5O4Sc1172723(311627293031)1124(17)36(3334)28225321(4622)25(32)3515261218819(1326)1020(918)1426h271116182028H8101215H21H3
MFCD06616575
tricyclo(3311~37~)dec1ylmethyl4(((2methyl5(1Htetrazol1yl)phenyl)sulfonyl)amino)benzoate
ZINC000012462419
ZINC12462419
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